1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[(2-nitro-4-sulfamoyl-phenyl)amino]thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-nitro-4-sulfamoyl-anilino)thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(2-nitro-4-sulfamoylanilino)thiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(2-nitro-4-sulfamoyl-anilino)thiourea Formula: C13H11ClFN5O4S2 MolecularWeight: 419.838943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])Cl)F

InChI

InChI=1S/C13H11ClFN5O4S2/c14-9-5-7(1-3-10(9)15)17-13(25)19-18-11-4-2-8(26(16,23)24)6-12(11)20(21)22/h1-6,18H,(H2,16,23,24)(H2,17,19,25)